CID 84045109

2354145-51-8

Structural Information

Molecular Formula
C13H26N2O2
SMILES
CC(C)(C)OC(=O)N(C)CC1CCC(CC1)N
InChI
InChI=1S/C13H26N2O2/c1-13(2,3)17-12(16)15(4)9-10-5-7-11(14)8-6-10/h10-11H,5-9,14H2,1-4H3
InChIKey
UEAIMEUAWCIPAW-UHFFFAOYSA-N
Compound name
tert-butyl N-[(4-aminocyclohexyl)methyl]-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

242.19943 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.20671 160.2
[M+Na]+ 265.18865 162.8
[M-H]- 241.19215 163.5
[M+NH4]+ 260.23325 177.6
[M+K]+ 281.16259 163.1
[M+H-H2O]+ 225.19669 153.9
[M+HCOO]- 287.19763 179.1
[M+CH3COO]- 301.21328 200.8
[M+Na-2H]- 263.17410 161.0
[M]+ 242.19888 157.2
[M]- 242.19998 157.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe